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. 2014 Mar 4;9(3):e90889. doi: 10.1371/journal.pone.0090889

Table 1. Data collection and refinement statistics (Molecular replacement).

BCL6/Rifabutin
Data Collection
Space Group P 1 21 1
Cell dimensions
 a,b,c (Å) 35.17, 54.83, 58.16
 α,β,γ (°) 90, 95.21, 90
Resolution (Å) 39.82–2.3 (2.38–2.3)
Rmerge 10.8 (51.8)
I/σI 9.8 (4.1)
Completeness (%) 97.13 (97)
Redundancy 3.0 (2.9)
Refinement
Resolution (Å) 2.3
No. reflections 9168
Rwork/Rfree 20.2/26.9
No. Atoms 2053
Protein 1969
Ligand/ion 61
Water 23
B-factors
Protein 27.9
Rifabutin 48
Water 24.6
R.M.S. deviations
Bond lengths (Å) 0.013
Bond angles (°) 1.885

*Highest resolution shell is shown in parenthesis.